Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50048496   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor of rabbit uterine skeletal muscle tissue				Bioorg Med Chem Lett 10: 399-402 (2000) BindingDB Entry DOI: 10.7270/Q2RF5X6P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218560 (CHEBI:34857 | Metoxiestrol | Moxestrol | R-2858) Show SMILES [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)C[C@H](OC)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C21H26O3/c1-4-21(23)10-9-17-16-7-5-13-11-14(22)6-8-15(13)19(16)18(24-3)12-20(17,21)2/h1,6,8,11,16-19,22-23H,5,7,9-10,12H2,2-3H3/t16-,17-,18-,19+,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor of rabbit uterine skeletal muscle tissue				Bioorg Med Chem Lett 10: 399-402 (2000) BindingDB Entry DOI: 10.7270/Q2RF5X6P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50085657 (4-(1-Ethyl-pyrrolo[2,1,5-cd]indolizin-2-yl)-phenol...) Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3cccc1n23 Show InChI InChI=1S/C18H15NO/c1-2-15-16-5-3-4-13-8-11-17(19(13)16)18(15)12-6-9-14(20)10-7-12/h3-11,20H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor of rabbit uterine skeletal muscle tissue				Bioorg Med Chem Lett 10: 399-402 (2000) BindingDB Entry DOI: 10.7270/Q2RF5X6P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Mus musculus)	BDBM50085657 (4-(1-Ethyl-pyrrolo[2,1,5-cd]indolizin-2-yl)-phenol...) Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3cccc1n23 Show InChI InChI=1S/C18H15NO/c1-2-15-16-5-3-4-13-8-11-17(19(13)16)18(15)12-6-9-14(20)10-7-12/h3-11,20H,2H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	0.960	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Uterotrophic activity in immature mouse				Bioorg Med Chem Lett 10: 399-402 (2000) BindingDB Entry DOI: 10.7270/Q2RF5X6P
					More data for this Ligand-Target Pair